(E)-1-(5-Hy-droxy-2,2-dimethyl-2H-chromen-6-yl)-3-(3,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.

ABSTRACT: The title compound, C(23)H(24)O(6), crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angles between the benzopyran ring and the ?,?-unsaturated ketone unit and between the ?,?-unsaturated ketone group and the benzene ring are 9.4?(10) and 12.96?(13)°, respectively, in mol-ecule A and 1.40?(17) and 4.44?(17)°, respectively, in mol-ecule B. The two meth-oxy groups at the meta positions of the benzene ring are close to being coplanar with the ring [C-O-C-C = 6.2?(3) and -1.4?(3)° in mol-ecule A and -4.2?(4) and 3.7?(3)° in mol-ecule B], whereas the third meth-oxy group, at the para position, is (+)-anti-clinal with respect to the benzene ring [C-O-C-C = 81.7?(3)°] in mol-ecule A and is (-)-synclinal with respect to the benzene ring [C-O-C-C = -103.2?(3)°] in mol-ecule B. In both independent mol-ecules, the hy-droxy group is involved in an intra-molecular O-H?O hydrogen bond.

SUBMITTER: Wang GC 

PROVIDER: S-EPMC3089353 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature